2-(2-fluoranylphenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: 2-(2-fluorophenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid 2-(2-fluorophenoxy)ethyl ester IUPAC Name: 2-(2-fluorophenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid 2-(2-fluorophenoxy)ethyl ester Formula: C23H26FNO5S MolecularWeight: 447.519643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCCOC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCCOC3=CC=CC=C3F

InChI

InChI=1S/C23H26FNO5S/c24-21-7-3-4-8-22(21)29-17-18-30-23(26)14-11-19-9-12-20(13-10-19)31(27,28)25-15-5-1-2-6-16-25/h3-4,7-14H,1-2,5-6,15-18H2